methyl 3-(6-ethoxy-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(6-ethoxy-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(6-ethoxy-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-ethoxy-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(6-ethoxy-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-ethoxy-2-valerylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)OCC)CCC(=O)OC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)OCC)CCC(=O)OC

InChI

InChI=1S/C18H24N2O4S/c1-4-6-7-16(21)19-18-20(11-10-17(22)23-3)14-9-8-13(24-5-2)12-15(14)25-18/h8-9,12H,4-7,10-11H2,1-3H3